(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide

C15H13FN4OS — CID 56880216

IUPAC(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
SMILESC[C@@H](C(N)=O)n1ccnc1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS/c1-9(13(17)21)20-7-6-18-14(20)15-19-12(8-22-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H2,17,21)/t9-/m0/s1
InChIKeyWULCNIZUTYKXNP-VIFPVBQESA-N
MW316.36 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide

(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide (PubChem CID 56880216) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
PubChem CID56880216
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
SMILESC[C@@H](C(N)=O)n1ccnc1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS/c1-9(13(17)21)20-7-6-18-14(20)15-19-12(8-22-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H2,17,21)/t9-/m0/s1
InChIKeyWULCNIZUTYKXNP-VIFPVBQESA-N
XLogP2.86
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
CID 103597382
3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
CID 154920567
2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
CID 154922035
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 97042055
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
methyl 5-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 94962515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide?
The IUPAC name of (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide (CID 56880216) is (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide is C[C@@H](C(N)=O)n1ccnc1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide?
The InChIKey is WULCNIZUTYKXNP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-9(13(17)21)20-7-6-18-14(20)15-19-12(8-22-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H2,17,21)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide?
(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide is sourced from PubChem (CID 56880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).